[gmx-users] Removing fastest degrees of freedom

[Ghermes Chilov]

Hi!

I'd like to ask Gromacs's gurus (especially Anton F.) one technical
question concerning dummifying hydrogens and aromatics (and making
the remaning hydrogens havier) in order to increase the integration
time step:

should i introduce extra bond (or constraint type 2) between serine
(tyrosine, threonine) hydroxyle and proper carbon atom in ff**.rtp?

thanks in advance,

Ghermes Chilov
Moscow State University